COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.008   5.883  -0.012  1.00  0.00           N  
HETATM    2  C   UNL     1       0.006   4.747  -0.006  1.00  0.00           C  
HETATM    3  C   UNL     1       0.003   3.315   0.002  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.173   2.615  -0.274  1.00  0.00           C  
HETATM    5  C   UNL     1       1.177   2.613   0.278  1.00  0.00           C  
HETATM    6  C   UNL     1       1.168   1.233   0.278  1.00  0.00           C  
HETATM    7  C   UNL     1       2.437   0.473   0.571  1.00  0.00           C  
HETATM    8  C   UNL     1       3.192   0.221  -0.735  1.00  0.00           C  
HETATM    9  C   UNL     1       4.460  -0.539  -0.443  1.00  0.00           C  
HETATM   10  N   UNL     1       5.321  -0.058   0.434  1.00  0.00           N  
HETATM   11  C   UNL     1       6.447  -0.692   0.722  1.00  0.00           C  
HETATM   12  N   UNL     1       7.325  -0.148   1.653  1.00  0.00           N  
HETATM   13  C   UNL     1       6.760  -1.897   0.101  1.00  0.00           C  
HETATM   14  C   UNL     1       5.877  -2.426  -0.823  1.00  0.00           C  
HETATM   15  C   UNL     1       4.705  -1.733  -1.092  1.00  0.00           C  
HETATM   16  C   UNL     1       6.178  -3.730  -1.517  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.001   0.546   0.004  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.169   1.236  -0.265  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.438   0.478  -0.562  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.194   0.218   0.743  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.462  -0.539   0.446  1.00  0.00           C  
HETATM   22  N   UNL     1      -5.320  -0.055  -0.432  1.00  0.00           N  
HETATM   23  C   UNL     1      -6.446  -0.687  -0.724  1.00  0.00           C  
HETATM   24  N   UNL     1      -7.321  -0.140  -1.656  1.00  0.00           N  
HETATM   25  C   UNL     1      -6.762  -1.893  -0.107  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.882  -2.425   0.818  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.187  -3.730   1.509  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.709  -1.734   1.092  1.00  0.00           C  
HETATM   29  H   UNL     1      -2.085   3.152  -0.493  1.00  0.00           H  
HETATM   30  H   UNL     1       2.091   3.148   0.492  1.00  0.00           H  
HETATM   31  H   UNL     1       3.063   1.057   1.245  1.00  0.00           H  
HETATM   32  H   UNL     1       2.189  -0.480   1.038  1.00  0.00           H  
HETATM   33  H   UNL     1       2.566  -0.363  -1.410  1.00  0.00           H  
HETATM   34  H   UNL     1       3.440   1.174  -1.203  1.00  0.00           H  
HETATM   35  H   UNL     1       7.111   0.692   2.088  1.00  0.00           H  
HETATM   36  H   UNL     1       8.151  -0.609   1.867  1.00  0.00           H  
HETATM   37  H   UNL     1       7.679  -2.412   0.338  1.00  0.00           H  
HETATM   38  H   UNL     1       3.995  -2.119  -1.809  1.00  0.00           H  
HETATM   39  H   UNL     1       5.771  -4.555  -0.933  1.00  0.00           H  
HETATM   40  H   UNL     1       5.724  -3.727  -2.508  1.00  0.00           H  
HETATM   41  H   UNL     1       7.258  -3.850  -1.612  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.002  -0.534   0.005  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.064   1.066  -1.233  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.191  -0.472  -1.035  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.568  -0.370   1.414  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.440   1.169   1.215  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.105   0.701  -2.089  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.147  -0.599  -1.873  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.681  -2.406  -0.347  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.779  -4.554   0.924  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.735  -3.730   2.501  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.266  -3.849   1.601  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.000  -2.125   1.806  1.00  0.00           H  
CONECT    1    2    2    2                                            
CONECT    2    3    1    1    1                                       
CONECT    3    5    5    4    2                                       
CONECT    4   18   18    3   29                                       
CONECT    5    6    3    3   30                                       
CONECT    6    7   17   17    5                                       
CONECT    7    8    6   31   32                                       
CONECT    8    9    7   33   34                                       
CONECT    9   15   15   10    8                                       
CONECT   10   11   11    9                                            
CONECT   11   13   12   10   10                                       
CONECT   12   11   35   36                                            
CONECT   13   14   14   11   37                                       
CONECT   14   16   13   13   15                                       
CONECT   15   14    9    9   38                                       
CONECT   16   14   39   40   41                                       
CONECT   17    6    6   18   42                                       
CONECT   18   17   19    4    4                                       
CONECT   19   18   20   43   44                                       
CONECT   20   19   21   45   46                                       
CONECT   21   20   22   22   28                                       
CONECT   22   21   21   23                                            
CONECT   23   22   24   25   25                                       
CONECT   24   23   47   48                                            
CONECT   25   23   23   26   49                                       
CONECT   26   28   28   25   27                                       
CONECT   27   26   50   51   52                                       
CONECT   28   21   26   26   53                                       
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   27                                                      
CONECT   51   27                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
